Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C18H26N4O3S.ClH |
| Molecular Weight | 414.95 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 5 / 5 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.[H][C@@]12C[C@]3([H])C[C@@]1([H])[C@@]2([H])[C@]3([H])NCC4=CC=C(CSCCN\C(NC)=C/[N+]([O-])=O)O4
InChI
InChIKey=UKWAWTGNMMEWDS-XXLFLUHQSA-N
InChI=1S/C18H26N4O3S.ClH/c1-19-16(9-22(23)24)20-4-5-26-10-13-3-2-12(25-13)8-21-18-11-6-14-15(7-11)17(14)18;/h2-3,9,11,14-15,17-21H,4-8,10H2,1H3;1H/b16-9-;/t11-,14+,15-,17+,18-;/m1./s1
| Molecular Formula | ClH |
| Molecular Weight | 36.461 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C18H26N4O3S |
| Molecular Weight | 378.489 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 1 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 11:31:54 GMT 2023
by
admin
on
Sat Dec 16 11:31:54 GMT 2023
|
| Record UNII |
NP21C25L9S
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
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Code | English |
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5748808
Created by
admin on Sat Dec 16 11:31:54 GMT 2023 , Edited by admin on Sat Dec 16 11:31:54 GMT 2023
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PRIMARY | |||
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NP21C25L9S
Created by
admin on Sat Dec 16 11:31:54 GMT 2023 , Edited by admin on Sat Dec 16 11:31:54 GMT 2023
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93064-63-2
Created by
admin on Sat Dec 16 11:31:54 GMT 2023 , Edited by admin on Sat Dec 16 11:31:54 GMT 2023
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PRIMARY |
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PARENT -> SALT/SOLVATE |
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ACTIVE MOIETY |
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